Ethanol → (+/-)-7-(3-Chloropyridazin-6-yl)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine

HRID 1205003Notes

Reaction equation

HRID 1205003 reaction equation
[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[CH3:50][CH2:51][OH:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][N:9]=[C:10]([c:11]2[c:12]([CH2:20][CH:21]([CH3:22])[OH:23])[cH:13][c:14]3[c:15]([cH:19]2)[O:16][CH2:17][O:18]3)[c:24]2[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]2)[n:6][n:7]1.[O:38]=[C:39]([O:40][CH2:41][CH3:42])[N:43]=[N:44][C:45]([O:46][CH2:47][CH3:48])=[O:49]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[N:9]=[C:10]([c:24]3[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]3)[c:11]3[c:12]([cH:13][c:14]4[c:15]([cH:19]3)[O:16][CH2:17][O:18]4)[CH2:20][CH:21]2[CH3:22])[n:6][n:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 6228DimethylformamideHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 865938171-(6-[(6-Chloropyridazin-3-yl)-hydrazono-(4-nitrophenyl)-methyl]-(benzo-1,3-dioxol-5-yl)}-propan-2-ol

Product 1

HCID 22565518(+/-)-7-(3-Chloropyridazin-6-yl)-8-methyl-5-(4-nitrophenyl)-8,9-dihydro-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine

Sources & evidence

ORD record
ord-5464108ffc1b447dbcc489ee2da13da6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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